Biochanin A

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Biochanin A
DrugBank Accession Number
DB15334
Background

Biochanin A is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 284.267
Monoisotopic: 284.068473486
Chemical Formula
C16H12O5
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Adverseeffects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AbciximabBiochanin A may decrease the anticoagulant activities of Abciximab.
AceclofenacAceclofenac may increase the thrombogenic activities of Biochanin A.
AcenocoumarolBiochanin A may decrease the anticoagulant activities of Acenocoumarol.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Biochanin A.
AdalimumabBiochanin A may increase the thrombogenic activities of Adalimumab.
AducanumabBiochanin A may increase the thrombogenic activities of Aducanumab.
AlemtuzumabBiochanin A may increase the thrombogenic activities of Alemtuzumab.
AlirocumabBiochanin A may increase the thrombogenic activities of Alirocumab.
AlteplaseBiochanin A may decrease the anticoagulant activities of Alteplase.
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with Biochanin A.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
U13J6U390T
CAS number
491-80-5
InChI Key
WUADCCWRTIWANL-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
IUPAC Name
5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
SMILES
COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O

References

General References
Not Available
Human Metabolome Database
HMDB0002338
KEGG Compound
C00814
ChemSpider
4444068
BindingDB
9461
ChEBI
17574
ChEMBL
CHEMBL131921
ZINC
ZINC000018847037
PDBe Ligand
QSO
Wikipedia
Biochanin_A
PDB Entries
2qyo / 4fj2 / 5jmm

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0583 mg/mLALOGPS
logP3.44ALOGPS
logP3.22ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)6.55ChemAxon
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area75.99 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity76.17 m3·mol-1ChemAxon
Polarizability28.69 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-03di-2944800000-78e1196ce4a6b5cc510e
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-MSGC-MSsplash10-03di-2944800000-78e1196ce4a6b5cc510e
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-03di-1833900000-f09d96dccb297f00dcd5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-47e7f5888047896fbeab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-0d44debd7dc24705b82a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4970000000-62cdcc296c60a0b9a572
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-47e7f5888047896fbeab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-0d44debd7dc24705b82a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4970000000-62cdcc296c60a0b9a572
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-57c90dbeeae680583b28
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-cfc655e2b327c5f14670
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-3890000000-4aefff84d287041c16e9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-57c90dbeeae680583b28
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-cfc655e2b327c5f14670
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-3890000000-4aefff84d287041c16e9
MS/MS Spectrum - ESI-TOF 40V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 50V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 40V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 50V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 20V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , NegativeLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0090000000-f16ba656729184cf1e0c
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0159-0090000000-d1a6e4c18b870bcac1d2
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-02ti-0590000000-c899726b9c15324f3ce1
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-014i-0090000000-79172327cf8e56811028
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0159-0090000000-91ded8897d63ace610fb
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-014i-0090000000-e0007eca7c20b22efffe
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0159-0090000000-664b19eb1fb823665068
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-014r-0190000000-7f6a864949fd18a14e8b
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-03yr-0790000000-5a2ccc494db05b9e19e7
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-014i-0090000000-1469c7dc6efca44dce49
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-0159-0090000000-48950d676f0cb98a7321
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-b86a787abdddcc4cee12
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-7af822b8dad09b0ac6c8
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0udl-0790000000-dfcd1ad0cd74fa25c9c6
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03dl-1940000000-d6a0d7d5a724d4c6e1db
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-044c1c4eb448c746bb3c
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-58e07837f69d383b057c
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-9f9ee2eeb98251688f25
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0fe3-0190000000-c5e36abf786412e0c524
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-03dl-0290000000-a8f84ce50fd8ea5a877e
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-000i-0190000000-4337ab19b21cf719a890
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0079-0290000000-dacef9ef84820ca0f71b
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0fki-0390000000-bc80103924dd60e70be7
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0fk9-0590000000-fe80601eb5d69ed0c219
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-026e5787c265af9e291d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0290000000-4ab567e19bebaefb45f4
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0j4l-0960000000-bd77196c14caea302ea1
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0fk9-0490000000-082bc6a9bed9abc2b3a2
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0fe0-0290000000-3152521513cd89ca7350
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0h2u-2790000000-036eabca0dba778d418a
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0390000000-8b4551164bbb2aac939d

Drug created on May 20, 2019 15:16 / Updated on June 12, 2020 16:53